4-[methyl(thiolan-3-yl)amino]pentanoic acid

C10H19NO2S — CID 62215066

IUPAC4-[methyl(thiolan-3-yl)amino]pentanoic acid
SMILESCC(CCC(=O)O)N(C)C1CCSC1
InChIInChI=1S/C10H19NO2S/c1-8(3-4-10(12)13)11(2)9-5-6-14-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyJLQIZFBNSNZGIY-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.68
Rot. Bonds5

About 4-[methyl(thiolan-3-yl)amino]pentanoic acid

4-[methyl(thiolan-3-yl)amino]pentanoic acid (PubChem CID 62215066) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-[methyl(thiolan-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[methyl(thiolan-3-yl)amino]pentanoic acid
PubChem CID62215066
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-[methyl(thiolan-3-yl)amino]pentanoic acid
SMILESCC(CCC(=O)O)N(C)C1CCSC1
InChIInChI=1S/C10H19NO2S/c1-8(3-4-10(12)13)11(2)9-5-6-14-7-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyJLQIZFBNSNZGIY-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(thian-3-yl)amino]butanoic acid
CID 110838575
4-N-methyl-1-N-(2-methylpropyl)-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422983
1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422981
2-N-methyl-1-N-propan-2-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62422594
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
2-N-methyl-1-N-(3-methylbutyl)-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568613
4-[[methyl(thiolan-3-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197986
2-[ethyl(thiolan-3-yl)amino]propanoic acid
CID 121203692
2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568442
4-(thiolan-3-ylamino)pentanoic acid
CID 103062625
3-chloro-N,2-dimethyl-N-(thiolan-3-yl)propanamide
CID 62726788
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiolan-3-yl)amino]pentanoic acid?
The IUPAC name of 4-[methyl(thiolan-3-yl)amino]pentanoic acid (CID 62215066) is 4-[methyl(thiolan-3-yl)amino]pentanoic acid.
What is the SMILES notation for 4-[methyl(thiolan-3-yl)amino]pentanoic acid?
The canonical SMILES for 4-[methyl(thiolan-3-yl)amino]pentanoic acid is CC(CCC(=O)O)N(C)C1CCSC1.
What is the InChIKey of 4-[methyl(thiolan-3-yl)amino]pentanoic acid?
The InChIKey is JLQIZFBNSNZGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(3-4-10(12)13)11(2)9-5-6-14-7-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[methyl(thiolan-3-yl)amino]pentanoic acid?
4-[methyl(thiolan-3-yl)amino]pentanoic acid has a molecular weight of 217.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiolan-3-yl)amino]pentanoic acid is sourced from PubChem (CID 62215066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).